Basic information
- CAS
13918-92-8- Standard SMILES
O=S(=O)(Cl)c1ccc(F)cc1F- InChIKey
FJSAJUXIHJIAMD-UHFFFAOYSA-N- Molecular formula
- C6H3ClF2O2S
- Average molar mass
- 212.6 g/mol
- Monoisotopic mass
- 211.95103446
Names & identifiers
- Preferred name
- 2,4-Difluorobenzenesulfonyl Chloride
- IUPAC
- 2,4-difluorobenzenesulfonyl chloride
- English name
- 2,4-Difluorobenzenesulfonyl chloride
- Molecular formula
- C6H3ClF2O2S
- Molecular weight
- 212.6
Names & synonyms
13918-92-82,4-Difluorobenzenesulfonyl chlorideFJSAJUXIHJIAMD-UHFFFAOYSA-DTXSID20370191RefChem:82422DTXCID00321227629-141-1FJSAJUXIHJIAMD-UHFFFAOYSA-NInChI=1/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H2,4-Difluorobenzene-1-Sulfonyl Chloride2,4-difluorobenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,4-difluoro-
Show more names
AKOS B019394BUTTPARK 23\07-79TIMTEC-BB SBB003423ART-CHEM-BB B0193942,4-DIFLUOROBENZENES2,4-difluorobenzoate2,4-Difluorobenzenesulphonyl chlor2,4-Diflurobenzensulfonyl chloride
MFCD000424812,4-difluoro-benzenesulfonyl chloride(2,4-difluorophenyl)chlorosulfone2,4-difluorobenzenesulfonylchloride2,4-DIFLUOROBENZENESULPHONYLCHLORIDESCHEMBL113810SCHEMBL298997012,4-di-fluorophenylsulfonylchloride
Database identifiers
- CAS
13918-92-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 101 · 101-102 °C (1 mmHg)
- Density
- 1.581 g/mL · 1.581 g/mL at 25 °C(lit.)
- refractive index
- 1.5187 · 1.5187
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Liquid
- color
- Clear colorless to light yellow
- Sensitive
- Moisture Sensitive
- BRN
- 2970373 · 2970373
- InChI
- 1S/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H
- InChIKey
- FJSAJUXIHJIAMD-UHFFFAOYSA-N
- SMILES
- Fc1ccc(c(F)c1)S(Cl)(=O)=O
- CAS DataBase Reference
- 13918 · 13918-92-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3265
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Applications
Uses2,4-Difluorobenzenesulfonyl chloride may be used in the preparation of 2,4-difluoro-N,N-dimethylbenzenesulfonamide, a precursor for poly(aryl ether sulfonamide)s.It may be used in the preparation of the following benzenesulfonamide quinoline derivatives with potent anti-HIV-1 (human immunodeficiency virus type 1) activity:2,4-difluoro-N-methyl-N-(quinolin-8-yl)benzenesulfonamideN-ethyl-2,4-difluoro-N-(quinolin-8-yl)benzenesulfonamide 2,4-difluoro-N-(quinolin-8-yl)benzenesulfonamide
General Description2,4-Difluorobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
Related reactions
119 records
Compound notes
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